Crystal Lab › Prototype structures › Orthorhombic
β'-Gd₂(MoO₄)₃
Orthorhombic · space group Pba2 (No. 32) · Pearson oP68
Symmetry elements and Wyckoff positions (interactive)
β'-Gd₂(MoO₄)₃ in Pba2
SettingUnit cell
- Lattice constants
- a = 10.386 Å, b = 10.419 Å, c = 10.700 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1157.8 ų
- Atoms in the conventional cell
- 68 (Gd 8, Mo 12, O 48)
- Formula units Z
- 4
- Pearson symbol
- oP68 — orthorhombic, primitive lattice, 68 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Gd1 | Gd | 4c | 4 | 0.4947 | 0.6878 | 0.7622 |
| Gd2 | Gd | 4c | 4 | 0.3122 | 0.9940 | 0.2369 |
| Mo3 | Mo | 4c | 4 | 0.4916 | 0.7069 | 0.1424 |
| Mo4 | Mo | 4c | 4 | 0.2936 | 0.0034 | 0.8571 |
| Mo5 | Mo | 4c | 4 | 0.2572 | 0.2439 | 0.5000 |
| O6 | O | 4c | 4 | 0.3830 | 0.8860 | 0.7900 |
| O7 | O | 4c | 4 | 0.1350 | 0.8710 | 0.2060 |
| O8 | O | 4c | 4 | 0.1510 | 0.6590 | 0.8230 |
| O9 | O | 4c | 4 | 0.3480 | 0.6490 | 0.2030 |
| O10 | O | 4c | 4 | 0.3150 | 0.8640 | 0.3990 |
| O11 | O | 4c | 4 | 0.1300 | 0.8210 | 0.5940 |
| O12 | O | 4c | 4 | 0.3610 | 0.6680 | 0.5980 |
| O13 | O | 4c | 4 | 0.1690 | 0.6290 | 0.4100 |
| O14 | O | 4c | 4 | 0.9800 | 0.8040 | 0.9780 |
| O15 | O | 4c | 4 | 0.3080 | 0.9840 | 0.0150 |
| O16 | O | 4c | 4 | 0.0050 | 0.6280 | 0.1940 |
| O17 | O | 4c | 4 | 0.3700 | 0.4890 | 0.8080 |
The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 68 atoms drawn above are these sites multiplied by all 4 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.
How to read the label
A2B3C12_oP68_32_2c_3c_12c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP68, then the space-group number 32, then the Wyckoff letters occupied by each element in turn (Gd: 4c; Gd: 4c; Mo: 4c; Mo: 4c; Mo: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Dy₂(MoO₄)₃, Eu₂(MoO₄)₃, Ho₂(MoO₄)₃, La₂(MoO₄)₃, Tb₂(MoO₄)₃ <!--beginning with an
Note: \beta'-Gd₂(MoO₄)₃.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C12_oP68_32_2c_3c_12c-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.
← Mo₁₇O₄₇ · Space group Pba2 (3 prototypes) · All prototypes